Syringin (C17H24O9)
BMRB entry bmse000613
Entry DOI: doi:10.13018/BMSE000613
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000613.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000613.molAll files for
bmse000613Time Domain Data:
bmse000613.zipSample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C14 | C10 | 77.220 | 4 |
| C13 | C11 | 76.542 | 4 |
| C15 | C12 | 74.170 | 4 |
| C12 | C13 | 69.924 | 4 |
| C17 | C14 | 102.536 | 1 |
| C8 | C15 | 61.458 | 4 |
| C16 | C16 | 133.813 | 4 |
| C10 | C17 | 152.705 | 1 |
| C11 | C18 | 152.705 | 1 |
| C6 | C19 | 104.435 | 1 |
| C7 | C20 | 104.435 | 1 |
| C9 | C21 | 132.587 | 4 |
| C4 | C22 | 130.174 | 4 |
| C1 | C23 | 56.346 | 1 |
| C2 | C24 | 56.325 | 1 |
| C3 | C25 | 128.425 | 4 |
| C5 | C26 | 60.877 | 4 |
| H43 | H27 | 3.188 | |
| H42 | H28 | 3.129 | |
| H44 | H29 | 3.030 | |
| H45 | H31 | 4.971 | 4 |
| H39 | H32 | 4.281 | 4 |
| H40 | H33 | 4.105 | 4 |
| H37 | H38 | 6.727 | 1 |
| H38 | H39 | 6.727 | 1 |
| H34 | H40 | 6.464 | 4 |
| H28 | H41 | 3.768 | 1 |
| H29 | H42 | 3.768 | 1 |
| H27 | H43 | 3.768 | 1 |
| H32 | H44 | 3.768 | 1 |
| H30 | H45 | 3.768 | 1 |
| H31 | H46 | 3.768 | 1 |
| H33 | H47 | 6.353 | 4 |
| H35 | H48 | 3.587 | 4 |
| H36 | H49 | 3.401 | 4 |
NMR experiments
1: 1D 1H
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
3: 1D 13C
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
7: 2D [1H,13C]-HMBC
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
8: 2D [1H,1H]-COSY
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz
